2-(3-amino-2-oxopropoxy)-N-methylacetamide

C6H12N2O3 — CID 59513074

IUPAC2-(3-amino-2-oxopropoxy)-N-methylacetamide
SMILESCNC(=O)COCC(=O)CN
InChIInChI=1S/C6H12N2O3/c1-8-6(10)4-11-3-5(9)2-7/h2-4,7H2,1H3,(H,8,10)
InChIKeyOPBXPMSGJOVIAS-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.72
Rot. Bonds5

About 2-(3-amino-2-oxopropoxy)-N-methylacetamide

2-(3-amino-2-oxopropoxy)-N-methylacetamide (PubChem CID 59513074) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(3-amino-2-oxopropoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxopropoxy)-N-methylacetamide
PubChem CID59513074
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(3-amino-2-oxopropoxy)-N-methylacetamide
SMILESCNC(=O)COCC(=O)CN
InChIInChI=1S/C6H12N2O3/c1-8-6(10)4-11-3-5(9)2-7/h2-4,7H2,1H3,(H,8,10)
InChIKeyOPBXPMSGJOVIAS-UHFFFAOYSA-N
XLogP-1.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide
CID 118604726
2-[2-(ethylamino)-2-oxoethoxy]-N-methylacetamide
CID 90077876
2-(2-fluoroethoxy)-N-methylacetamide
CID 155326209
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848
ethene;2-ethoxy-N-methylacetamide
CID 123508760
1-amino-3-propoxypropan-2-one
CID 116548438
2-(3-amino-2-oxopropoxy)-N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 143637317
N-methyl-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 59773137
N-methyl-2-(2-methylpropoxy)acetamide
CID 145404647
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
N-methyl-2-[2-(methylamino)ethoxy]acetamide
CID 54595045
2-(2-amino-2-ethylbutoxy)-N-methylacetamide
CID 64573787

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxopropoxy)-N-methylacetamide?
The IUPAC name of 2-(3-amino-2-oxopropoxy)-N-methylacetamide (CID 59513074) is 2-(3-amino-2-oxopropoxy)-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-2-oxopropoxy)-N-methylacetamide?
The canonical SMILES for 2-(3-amino-2-oxopropoxy)-N-methylacetamide is CNC(=O)COCC(=O)CN.
What is the InChIKey of 2-(3-amino-2-oxopropoxy)-N-methylacetamide?
The InChIKey is OPBXPMSGJOVIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-8-6(10)4-11-3-5(9)2-7/h2-4,7H2,1H3,(H,8,10).
What are the key properties of 2-(3-amino-2-oxopropoxy)-N-methylacetamide?
2-(3-amino-2-oxopropoxy)-N-methylacetamide has a molecular weight of 160.17 g/mol, XLogP of -1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxopropoxy)-N-methylacetamide is sourced from PubChem (CID 59513074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).